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"structure_string": "H4 C2 S2 N4 O2\n1.0\n4.510686 -0.040841 0.094262\n1.730022 4.833942 0.894158\n0.093111 0.202992 7.110673\nH C S N O\n4 2 2 4 2\ndirect\n0.221408 0.756894 0.754992 H\n0.721413 0.756894 0.254994 H\n0.745886 0.782635 0.838813 H\n0.245890 0.782634 0.338814 H\n0.358602 0.134507 0.237972 C\n0.858598 0.134506 0.737972 C\n0.246254 0.467679 0.131538 S\n0.746251 0.467677 0.631538 S\n0.162202 0.963322 0.764136 N\n0.662207 0.963323 0.264137 N\n0.651840 -0.002702 0.815203 N\n0.151844 -0.002702 0.315204 N\n0.386412 0.074643 0.676618 O\n0.886415 0.074644 0.176617 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.93416222320724,
"density_atomic": 0.09048903078182924,
"volume": 154.7148850975569,
"volume_molar": 6.6551058266051,
"formula_full": "H4 C2 S2 N4 O2",
"formula_reduced": "H2CSN2O",
"formula_anonymous": "ABCD2E2",
"energy_above_hull": 4.233922857142858,
"spacegroup": 1
}
]
}